# generated using pymatgen data_Sc2CuB2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.35977400 _cell_length_b 9.35977400 _cell_length_c 3.05941000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2CuB2Ir5 _chemical_formula_sum 'Sc4 Cu2 B4 Ir10' _cell_volume 268.02074299 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sc Sc0 1 0.67568200 0.17568200 0.00000000 1.0 Sc Sc1 1 0.32431800 0.82431800 0.00000000 1.0 Sc Sc2 1 0.17568200 0.32431800 0.00000000 1.0 Sc Sc3 1 0.82431800 0.67568200 0.00000000 1.0 Cu Cu4 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu5 1 0.50000000 0.50000000 0.00000000 1.0 B B6 1 0.12653900 0.62653900 0.00000000 1.0 B B7 1 0.87346100 0.37346100 0.00000000 1.0 B B8 1 0.62653900 0.87346100 0.00000000 1.0 B B9 1 0.37346100 0.12653900 0.00000000 1.0 Ir Ir10 1 0.21499900 0.07067800 0.50000000 1.0 Ir Ir11 1 0.78500100 0.92932200 0.50000000 1.0 Ir Ir12 1 0.07067800 0.78500100 0.50000000 1.0 Ir Ir13 1 0.71499900 0.42932200 0.50000000 1.0 Ir Ir14 1 0.92932200 0.21499900 0.50000000 1.0 Ir Ir15 1 0.28500100 0.57067800 0.50000000 1.0 Ir Ir16 1 0.57067800 0.71499900 0.50000000 1.0 Ir Ir17 1 0.42932200 0.28500100 0.50000000 1.0 Ir Ir18 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir19 1 0.00000000 0.50000000 0.50000000 1.0